Geometry & MOs

Info

ID:	129699
PubChem CID:	51073593
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-32.96
Dipole, Da:	2.48
IP(EA), eV:	-8.57(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=CC=C1C2CCCN2CC(=O)NCC3=CC=CO3

DOS

IR

Vibrations